6-methoxy-2-methyl-3-nitrophenol

C8H9NO4 — CID 10058181

IUPAC6-methoxy-2-methyl-3-nitrophenol
SMILESCOc1ccc([N+](=O)[O-])c(C)c1O
InChIInChI=1S/C8H9NO4/c1-5-6(9(11)12)3-4-7(13-2)8(5)10/h3-4,10H,1-2H3
InChIKeyWERBGVCZXYBCAV-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.62
Rot. Bonds2

About 6-methoxy-2-methyl-3-nitrophenol

6-methoxy-2-methyl-3-nitrophenol (PubChem CID 10058181) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3-nitrophenol.

Molecular Properties

Compound Name6-methoxy-2-methyl-3-nitrophenol
PubChem CID10058181
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name6-methoxy-2-methyl-3-nitrophenol
SMILESCOc1ccc([N+](=O)[O-])c(C)c1O
InChIInChI=1S/C8H9NO4/c1-5-6(9(11)12)3-4-7(13-2)8(5)10/h3-4,10H,1-2H3
InChIKeyWERBGVCZXYBCAV-UHFFFAOYSA-N
XLogP1.62
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-methoxy-6-nitrobenzoic acid
CID 154429384
6-methoxy-3-nitro-2-(trifluoromethyl)phenol
CID 71773097
3-bromo-1-methoxy-2-methyl-4-nitrobenzene
CID 53416656
6-bromo-2-methyl-3-nitrophenol
CID 130927076
3-methoxy-4-methyl-5-nitrophenol
CID 131555284
6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene
CID 15614968
1,5-dimethoxy-4,8-dinitroanthracene-9,10-dione
CID 21413446
3-hydroxy-4-methoxy-2-nitrobenzoic acid
CID 12954168
4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066
2-methyl-4-nitrobenzene-1,3-diol;hydrochloride
CID 174916227
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3-nitrophenol?
The IUPAC name of 6-methoxy-2-methyl-3-nitrophenol (CID 10058181) is 6-methoxy-2-methyl-3-nitrophenol.
What is the SMILES notation for 6-methoxy-2-methyl-3-nitrophenol?
The canonical SMILES for 6-methoxy-2-methyl-3-nitrophenol is COc1ccc([N+](=O)[O-])c(C)c1O.
What is the InChIKey of 6-methoxy-2-methyl-3-nitrophenol?
The InChIKey is WERBGVCZXYBCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-5-6(9(11)12)3-4-7(13-2)8(5)10/h3-4,10H,1-2H3.
What are the key properties of 6-methoxy-2-methyl-3-nitrophenol?
6-methoxy-2-methyl-3-nitrophenol has a molecular weight of 183.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3-nitrophenol is sourced from PubChem (CID 10058181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).